N-(1-adamantylmethyl)-2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H26N6OS MolecularWeight: 398.52504

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)CSC4=NN=C(N4N)C5=CN=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)CSC4=NN=C(N4N)C5=CN=CC=C5

InChI

InChI=1S/C20H26N6OS/c21-26-18(16-2-1-3-22-10-16)24-25-19(26)28-11-17(27)23-12-20-7-13-4-14(8-20)6-15(5-13)9-20/h1-3,10,13-15H,4-9,11-12,21H2,(H,23,27)